[5-tert-butyl-4-[[2-[2-(4-hydroxyphenyl)ethyl]-6-oxidanyl-4-oxidanylidene-2-propyl-3H-pyran-5-yl]sulfanyl]-2-methyl-phenyl] imidazol-1-ylmethanesulfonate

Systemtic Name: [5-tert-butyl-4-[[2-[2-(4-hydroxyphenyl)ethyl]-6-oxidanyl-4-oxidanylidene-2-propyl-3H-pyran-5-yl]sulfanyl]-2-methyl-phenyl] imidazol-1-ylmethanesulfonate Openeye Name: [5-tert-butyl-4-[[6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-4-oxo-2-propyl-3H-pyran-5-yl]sulfanyl]-2-methyl-phenyl] imidazol-1-ylmethanesulfonate CAS Name: 1-imidazolylmethanesulfonic acid [5-tert-butyl-4-[[6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-4-oxo-2-propyl-3H-pyran-5-yl]thio]-2-methylphenyl] ester IUPAC Name: [5-tert-butyl-4-[[6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-4-oxo-2-propyl-3H-pyran-5-yl]sulfanyl]-2-methylphenyl] imidazol-1-ylmethanesulfonate Traditional Name: imidazol-1-ylmethanesulfonic acid [5-tert-butyl-4-[[6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-4-keto-2-propyl-3H-pyran-5-yl]thio]-2-methyl-phenyl] ester Formula: C31H38N2O7S2 MolecularWeight: 614.77262

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CC(=O)C(=C(O1)O)SC2=CC(=C(C=C2C(C)(C)C)OS(=O)(=O)CN3C=CN=C3)C)CCC4=CC=C(C=C4)O

Isomeric SMILES

CCCC1(CC(=O)C(=C(O1)O)SC2=CC(=C(C=C2C(C)(C)C)OS(=O)(=O)CN3C=CN=C3)C)CCC4=CC=C(C=C4)O

InChI

InChI=1S/C31H38N2O7S2/c1-6-12-31(13-11-22-7-9-23(34)10-8-22)18-25(35)28(29(36)39-31)41-27-16-21(2)26(17-24(27)30(3,4)5)40-42(37,38)20-33-15-14-32-19-33/h7-10,14-17,19,34,36H,6,11-13,18,20H2,1-5H3